Chemical Entities of Biological Interest Ontology

Last uploaded: November 5, 2024

Preferred Name	cefacetrile
Synonyms	cephacetrile cephacetril cefacetrile sodium
ID	http://purl.obolibrary.org/obo/CHEBI_135437
charge	0
database_cross_reference	HMDB:HMDB0015484 Drug_Central:524 CAS:10206-21-0
formula	C13H13N3O6S
has_obo_namespace	chebi_ontology
has_related_synonym	cephacetrile cephacetril cefacetrile sodium
id	CHEBI:135437
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1
inchikey	RRYMAQUWDLIUPV-BXKDBHETSA-N
label	cefacetrile
mass	339.325
monoisotopicmass	339.05251
notation	CHEBI:135437
prefLabel	cefacetrile
smiles	C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(CC#N)=O)(SCC1COC(C)=O)[H]
treeView	http://purl.obolibrary.org/obo/CHEBI_23066
subClassOf	http://purl.obolibrary.org/obo/CHEBI_23066

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_135437	BERO	SAME_URI
http://purl.bioontology.org/ontology/ATC/J01DB10	ATC	LOOM
http://purl.obolibrary.org/obo/CHEBI_135437	BERO	LOOM
http://purl.bioontology.org/ontology/LNC/LP94830-4	LOINC	LOOM
https://go.drugbank.com/drugs/DB01414	MDM	LOOM
http://stirdf.jst.go.jp/id/200907039324544830	IOBC	LOOM
http://purl.obolibrary.org/obo/dinto_DB01414	DINTO	LOOM
http://purl.bioontology.org/ontology/LNC/MTHU031735	LOINC	LOOM
http://purl.jp/bio/4/id/200906002297843060	IOBC	LOOM